SCHEMBL4345405

SCHEMBL4345405

O=C(CCCC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCc2[nH]cnc2C1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.36
KCNQ1 P51787 1/20 0.35
P2RX7 Q99572 1/20 0.34
HTR7 P34969 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SFRP1 Q8N474 1/20 0.33
AOC3 Q16853 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CHRM4 P08173 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4344589 0.88 KCNQ1 (0.36) HCRTR1KCNQ1P2RX7AOC3L3MBTL1
SCHEMBL4349064 0.88 HTR7 (0.46) HCRTR1HTR7LMNA
SCHEMBL3445996 0.83 CCR4 (0.38) HCRTR1HTR7NPC1HPGDRAB9A
SCHEMBL4341780 0.82 NPC1 (0.35) NPC1HPGDRAB9AAOC3LMNA
SCHEMBL4353803 0.81 RAB9A (0.38) NPC1HPGDRAB9AAOC3LMNA
SCHEMBL702503 0.77 HCRTR1 (0.48) HCRTR1KCNQ1HTR7SFRP1L3MBTL1
SCHEMBL4347398 0.73 P2RX7 (0.34) P2RX7NPC1AOC3LMNA
SCHEMBL699952 0.72 HCRTR1 (0.50) HCRTR1KCNQ1HTR7NPC1RAB9A
SCHEMBL4353756 0.72 AOC3 (0.38) NPC1HPGDRAB9AAOC3LMNA
SCHEMBL4345307 0.71 BDKRB1 (0.38) NPC1RAB9AAOC3LMNATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 HCRTR1 742/4885KCNQ1 244/4885P2RX7 243/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.